- InChI
- InChI=1S/C16H30N2O5Si2/c1-11-9-18(16(20)17-15(11)19)14-8-12(23-25(5,6)7)13(22-14)10-21-24(2,3)4/h9,12-14H,8,10H2,1-7H3,(H,17,19,20)
- InChI Key
- IIORRTMASMPHAF-UHFFFAOYSA-N
- Formula
- C16H30N2O5Si2
- SMILES
-
Cc1cn(C2CC(O[Si](C)(C)C)C(CO[S
i](C)(C)C)O2)c(=O)[nH]c1=O - Molecular Weight1
- 386.59
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | 0.7505 | Relay (1.0) Calculated Property | |
| ΔfG° | -247.82 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -1046.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 110.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.54 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.53 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.722 | Crippen Calculated Property | |
| Pc | 896.69 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 2409.00 | NIST | |
| Tboil | 649.71 | K | Relay (1.0) Calculated Property |
| Tc | 885.23 | K | Relay (1.0) Calculated Property |
| Tfus | 385.66 | K | Relay (1.0) Calculated Property |
| Vc | 1.154 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
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Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- NIST Webbook
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